Geometry & MOs

Info

ID:	38424
PubChem CID:	8036843
Reduced:	SCl2O2N3C15H17 (1)
Stoich.:	AB2C2D3E15F17 (1)
Weight, g/mol:	231.137162
ΔH_f, kcal/mol:	-73.25
Dipole, Da:	5.64
IP(EA), eV:	-9.1(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)CNC1=NC(=O)[C@H](S1)CC(=O)NC2=C(C(=CC=C2)Cl)Cl

DOS

IR

Vibrations